[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 7-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 7-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 7-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 7-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-8-keto-7-methoxy-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C34H39BrN6O6S2 MolecularWeight: 771.74406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNC2(C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)OCC(=O)C5=CC=C(C=C5)Br)OC)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNC2(C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)OCC(=O)C5=CC=C(C=C5)Br)OC)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C34H39BrN6O6S2/c1-32(2,3)23-13-19(14-24(27(23)43)33(4,5)6)15-36-34(46-8)29(45)41-26(28(44)47-16-25(42)20-9-11-22(35)12-10-20)21(17-48-30(34)41)18-49-31-37-38-39-40(31)7/h9-15,30,36H,16-18H2,1-8H3